SCHEMBL4100115

SCHEMBL4100115

COc1ccc(N2CCC(N3CCCCC3)CC2)cc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.63
IGF1R P08069 8/20 0.63
PTK2 Q05397 4/20 0.63
PTK2B Q14289 4/20 0.63
EGFR P00533 4/20 0.63
PLK1 P53350 3/20 0.63
PLK4 O00444 3/20 0.63
LCK P06239 3/20 0.63
FYN P06241 3/20 0.63
EPHA2 P29317 3/20 0.63
FLT3 P36888 3/20 0.63
LIMK1 P53667 3/20 0.63
PTK6 Q13882 3/20 0.63
AURKB Q96GD4 3/20 0.63
PRKD2 Q9BZL6 3/20 0.63
SLK Q9H2G2 3/20 0.63
CHEK1 O14757 2/20 0.63
AURKA O14965 2/20 0.63
DCLK1 O15075 2/20 0.63
PDPK1 O15530 2/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4100866 0.94 ALK (0.66) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL4103561 0.94 ULK1 (0.67) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL4093702 0.93 ALK (0.70) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL4089370 0.91 ALK (0.68) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL4089503 0.88 ALK (0.70) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL12781002 0.88 ULK1 (0.77) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL4095865 0.88 ULK1 (0.74) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL12780199 0.87 ULK1 (0.63) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL4096592 0.87 ZAP70 (0.78) ALKIGF1RPTK2PTK2BEGFR
SCHEMBL5361563 0.87 ZAP70 (0.61) ALKIGF1RPTK2PTK2BEGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US claimed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS ALK 2060/4885IGF1R 4608/4885PTK2 4576/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.